Asperdiazapinone A
| Internal ID | 67d9ed11-39d2-4e61-8c14-2be9e9aa7b05 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (2S,10R,12S)-6-methoxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaene-13,21-dione |
| SMILES (Canonical) | CC(C)(C=C)C12CC3C(=O)NC4=CC=CC=C4C(=O)N3C1NC5=C2C=CC(=C5)OC |
| SMILES (Isomeric) | CC(C)(C=C)[C@@]12C[C@H]3C(=O)NC4=CC=CC=C4C(=O)N3[C@@H]1NC5=C2C=CC(=C5)OC |
| InChI | InChI=1S/C24H25N3O3/c1-5-23(2,3)24-13-19-20(28)25-17-9-7-6-8-15(17)21(29)27(19)22(24)26-18-12-14(30-4)10-11-16(18)24/h5-12,19,22,26H,1,13H2,2-4H3,(H,25,28)/t19-,22-,24+/m0/s1 |
| InChI Key | FCEVLFGWAZSGTN-NGYIFUPDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H25N3O3 |
| Molecular Weight | 403.50 g/mol |
| Exact Mass | 403.18959167 g/mol |
| Topological Polar Surface Area (TPSA) | 70.70 Ų |
| XlogP | 4.20 |
| CHEBI:188678 |
| (2S,10R,12S)-6-methoxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaene-13,21-dione |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.96% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.20% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.61% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.56% | 93.40% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.08% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.05% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.91% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.82% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.59% | 90.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.82% | 92.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.69% | 97.09% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.78% | 80.78% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.37% | 93.31% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.43% | 97.05% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.40% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.06% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.87% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.05% | 99.23% |
| CHEMBL4531 | P17931 | Galectin-3 | 82.84% | 96.90% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.46% | 91.07% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.17% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.16% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 102228309 |
| LOTUS | LTS0102002 |
| wikiData | Q77382672 |